trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide

C17H24N2O — CID 99776033

IUPACtrans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESNC1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)CCCCC1
InChIInChI=1S/C17H24N2O/c18-17(9-5-2-6-10-17)12-19-16(20)15-11-14(15)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12,18H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyGHETVOZRGONORR-CABCVRRESA-N
MW272.39 g/mol
LogP2.57
Rot. Bonds4

About trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 99776033) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID99776033
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Nametrans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESNC1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)CCCCC1
InChIInChI=1S/C17H24N2O/c18-17(9-5-2-6-10-17)12-19-16(20)15-11-14(15)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12,18H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyGHETVOZRGONORR-CABCVRRESA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 80710988
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 75537852
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 114758096
1-[(2-phenylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 78971312
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylcyclopropane-1-carboxamide
CID 110625222
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111433093
trans-(1R,2R)-N-[3-(cyclohexylamino)propyl]-2-phenylcyclopropane-1-carboxamide
CID 69221581
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 99776033) is trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide is NC1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)CCCCC1.
What is the InChIKey of trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is GHETVOZRGONORR-CABCVRRESA-N. The full InChI is InChI=1S/C17H24N2O/c18-17(9-5-2-6-10-17)12-19-16(20)15-11-14(15)13-7-3-1-4-8-13/h1,3-4,7-8,14-15H,2,5-6,9-12,18H2,(H,19,20)/t14-,15+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1-aminocyclohexyl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 99776033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).